Hi Antara, What commands did you use? At least make sure you add -rdd 1.6 to the command line of mdrun, because the default value is too small for coarse grain simulations.
Cheers, Tsjerk On Fri, May 13, 2016 at 8:12 PM, Antara mazumdar <antara.mazum...@igib.in> wrote: > Dear users, > > I am trying to run a coarse grained simulation of a membrane protein in a > mixed lipid billayer using martini model 2.2. I have already performed all > the equilibration steps successfully on my desktop with GROMACS 5.1.0. > However, when i try to execute its production run in parallel(having > gromacs 5.1 version installed) it complains of LINCS warning and > terminates at step 0. But on the contrary, it runs on the desktop > successfully. Kindly suggest something and please let me know if any more > information is required from my side. > > > Thanks!! > > Kind Regards, > Antara > > -- > Junior research fellow(project) > Systems biology group > CSIR-Institute of Genomics & Integrative Biology > South Campus > New Delhi - 110020 > M : +91-9717970040 > -- > > > > On Fri, May 13, 2016 at 11:11 PM, Antara mazumdar <antara.mazum...@igib.in > > > wrote: > > > Dear gromacs users, > > > > I am trying to run a coarse grained simulation of a membrane protein in a > > mixed lipid billayer using martini model. I have already performed all > the > > equilibration steps successfully on my desktop. However, when i try to > > execute its production run in parallel it complains of LINCS warning and > > terminates at step 0. But on the contrary, it runs on the desktop > > successfully. Kindly suggest something and please let me know if any more > > information is required from my side. > > > > > > Thanks!! > > > > > > > > Kind Regards, > > Antara > > > > -- > > Junior research fellow(project) > > Systems biology group > > CSIR-Institute of Genomics & Integrative Biology > > South Campus > > New Delhi - 110020 > > M : +91-9717970040 > > -- > > > > > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Tsjerk A. Wassenaar, Ph.D. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
